Geometry & MOs

Info

ID:	180731
PubChem CID:	76676786
Reduced:	O2F3N4C25H27 (1)
Stoich.:	A2B3C4D25E27 (1)
Weight, g/mol:	525.246141
ΔH_f, kcal/mol:	-182.56
Dipole, Da:	6.4
IP(EA), eV:	-8.67(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[[4-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-(2-methylpropyl)piperazin-1-yl]methyl]-5-methylphenoxy]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CC1CN(CC(N1CC2=CC(=CC(=C2)C)OC(=O)C)C)C3=CN=C4C=C(C=CC4=N3)C(F)(F)F

DOS

IR

Vibrations